Structure of PDB 6t3g Chain A Binding Site BS01

Receptor Information
>6t3g Chain A (length=172) Species: 37129 (Southampton virus (serotype 3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APPTLWSRVTKFGSGWGFWVSPTVFITTTHVIPTSAKEFFGEPLTSIAIH
RAGEFTLFRFSKKIRPDLTGMILEEGCPEGTVCSVLIKRDSGELLPLAVR
MGAIASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVYKRAND
WVVCGVHAAATKSGNTVVCAVQ
Ligand information
Ligand IDJOV
InChIInChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKeyXZDXDRPMHCVWBK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)(CO)NC(=O)c1cccc(c1)Cl
CACTVS 3.385CC(C)(CO)NC(=O)c1cccc(Cl)c1
ACDLabs 12.01c1ccc(cc1C(NC(C)(CO)C)=O)Cl
FormulaC11 H14 Cl N O2
Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
ChEMBL
DrugBank
ZINCZINC000000621626
PDB chain6t3g Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6t3g In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		G13 P33
Binding residue
(residue number reindexed from 1)		G13 P33
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.66: calicivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0004197 cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6t3g, PDBe:6t3g, PDBj:6t3g
PDBsum6t3g
PubMed32743543
UniProtQ04544|POLG_SOUV3 Genome polyprotein (Gene Name=ORF1)

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